N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C14H12FN3S — CID 2524595

IUPACN-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccccc1F)c1ncnc2sccc12
InChIInChI=1S/C14H12FN3S/c1-18(8-10-4-2-3-5-12(10)15)13-11-6-7-19-14(11)17-9-16-13/h2-7,9H,8H2,1H3
InChIKeyZCGLIJXDCMEGGX-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.47
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine

N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 2524595) has the molecular formula C14H12FN3S and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID2524595
Molecular FormulaC14H12FN3S
Molecular Weight273.34 g/mol
Exact Mass273.07
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(Cc1ccccc1F)c1ncnc2sccc12
InChIInChI=1S/C14H12FN3S/c1-18(8-10-4-2-3-5-12(10)15)13-11-6-7-19-14(11)17-9-16-13/h2-7,9H,8H2,1H3
InChIKeyZCGLIJXDCMEGGX-UHFFFAOYSA-N
XLogP3.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 2524595) is N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CN(Cc1ccccc1F)c1ncnc2sccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZCGLIJXDCMEGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S/c1-18(8-10-4-2-3-5-12(10)15)13-11-6-7-19-14(11)17-9-16-13/h2-7,9H,8H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2524595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).